Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------------ASSCNPSALSACAPALFGRAVTLGCCASLRAQQP---------CLC-QYKRDPANRAYVNGPAAQRFTRACGLTQMKC---------
3BDE Chain:A ((18-116))
QGMIRHTVVFTLKHASHSLEEKRFLVDAKKILSAIRGVTHFEQLRQISPKIDYHFGFSMEFADQAAYTRYNDHPDHVAFVRDRWVPEVEKFLEIDYVPL
General information:
TITO was launched using:
RESULT:
Template:
3BDE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -26543 for 372 contacts (-71.4/contact) +
2D Compatibility (PS) -7270 + (NN) 2044 + (LL) 0
1D Compatibility (HY) 400 + (ID) 250
Total energy: -31619.0 ( -85.00 by residue)
QMean score : 0.307
(partial model without unconserved sides chains):
PDB file :
Tito_3BDE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BDE-query.scw
PDB file :
Tito_Scwrl_3BDE.pdb
: